Isepamicinsulfate
[CAS# 68000-78-2]

Identification

• Name: Isepamicinsulfate
• Synonyms: (2S)-3-Amino-N-[(1R,2S,3S,4R,5S)-5-Amino-4-[(2R,3R,4S,5S,6R)-6-(Aminomethyl)-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Oxy-2-[(2R,3R,4R,5R)-3,5-Dihydroxy-5-Methyl-4-Methylamino-Tetrahydropyran-2-Yl]Oxy-3-Hydroxy-Cyclohexyl]-2-Hydroxy-Propanamide; Sulfuric Acid; (2S)-3-Amino-N-[(1R,2S,3S,4R,5S)-5-Amino-4-[[(2R,3R,4S,5S,6R)-6-(Aminomethyl)-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Oxy]-2-[[(2R,3R,4R,5R)-3,5-Dihydroxy-5-Methyl-4-Methylamino-2-Tetrahydropyranyl]Oxy]-3-Hydroxycyclohexyl]-2-Hydroxypropanamide; Sulfuric Acid; (2S)-3-Amino-N-[(1R,2S,3S,4R,5S)-5-Amino-4-[(2R,3R,4S,5S,6R)-6-(Aminomethyl)-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Oxy-2-[(2R,3R,4R,5R)-3,5-Dihydroxy-5-Methyl-4-Methylamino-Tetrahydropyran-2-Yl]Oxy-3-Hydroxy-Cyclohexyl]-2-Hydroxy-Propionamide; Sulfuric Acid
• Molecular Formula: C₂₂H₄₇N₅O₂₀S₂
• Molecular Weight: 765.75
• CAS Registry Number: 68000-78-2
• SMILES: [C@H]3(O[C@@H]2[C@@H](O)[C@H](O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CN)[C@@H](N)C[C@H]2NC(=O)[C@@H](O)CN)OC[C@](O)([C@H](NC)[C@H]3O)C.O=[S](=O)(O)O.O=[S](=O)(O)O
• InChI: 1S/C22H43N5O12.2H2O4S/c1-22(35)6-36-20(15(33)18(22)26-2)39-17-8(27-19(34)9(28)4-23)3-7(25)16(14(17)32)38-21-13(31)12(30)11(29)10(5-24)37-21;2*1-5(2,3)4/h7-18,20-21,26,28-33,35H,3-6,23-25H2,1-2H3,(H,27,34);2*(H2,1,2,3,4)/t7-,8+,9-,10+,11+,12-,13+,14-,15+,16+,17-,18+,20+,21+,22-;;/m0../s1
• InChIKey: KENHPEYNCGCZOF-XZWSBQPUSA-N

Properties

• Boiling point: 926.8°C at 760 mmHg (Cal.)
• Flash point: 514.3°C (Cal.)